
New benchmark brings expert chemistry judgment to retrosynthesis model evaluation
Retrosynthesis planning, a cornerstone of drug discovery, has become a proving ground for both specialized deep-learning systems and general LLMs. A new evaluation framework called URSA addresses a critical gap: the absence of standardized benchmarks that capture both formal correctness and chemical plausibility. By grounding assessment in how expert chemists actually evaluate synthetic routes, URSA enables meaningful comparison across model architectures and approaches. This matters because drug discovery timelines and costs hinge on route quality, making rigorous, domain-aware evaluation infrastructure essential as AI systems take on higher-stakes molecular design tasks.58
























